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15-HYDROXY-4-BETA-H,15-DIHYDROREPANDANOLIDE-O-ANGELATE
SpectraBase Compound ID AJG9azfrXQL
InChI InChI=1S/C21H28O7/c1-5-12(2)19(23)27-16-10-14(21(25)26-4)8-6-7-9-15(11-22)18-17(16)13(3)20(24)28-18/h5,8,15-18,22H,3,6-7,9-11H2,1-2,4H3/b12-5-,14-8+/t15-,16+,17+,18+/m0/s1
InChIKey RXTDURHQDPRKBE-XPQORTROSA-N
Mol Weight 392.45 g/mol
Molecular Formula C21H28O7
Exact Mass 392.183503 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HFDBhC55Sv5
Name 15-HYDROXY-4-BETA-H,15-DIHYDROREPANDANOLIDE-O-ANGELATE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H28O7
InChI InChI=1S/C21H28O7/c1-5-12(2)19(23)27-16-10-14(21(25)26-4)8-6-7-9-15(11-22)18-17(16)13(3)20(24)28-18/h5,8,15-18,22H,3,6-7,9-11H2,1-2,4H3/b12-5-,14-8+/t15-,16+,17+,18+/m0/s1
InChIKey RXTDURHQDPRKBE-XPQORTROSA-N
Literature Reference Author L.QUIJANO,I.S.NUNEZ,F.R.FRONCZEK,N.H.FISCHER
Literature Reference Citation PHYTOCHEM.,45,769(1997)
Literature Reference DOI 10.1016/S0031-9422(97)00025-3
Molecular Weight 392.449 g/mol
Solvent Unknown
Source File Reference UWSP1552